Geometry & MOs

Info

ID:	332335
PubChem CID:	127250621
Reduced:	O3N5H23C25 (1)
Stoich.:	A3B5C23D25 (1)
Weight, g/mol:	408.196154
ΔH_f, kcal/mol:	-14.88
Dipole, Da:	5.48
IP(EA), eV:	-9.15(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-fluoro-3-methylphenyl)-1-[2-[6-(1H-pyrazol-4-yl)pyridin-2-yl]morpholin-4-yl]butan-1-one

Drug info:

PubChemData

Smile

CC1=CC=CN2C1=NC(=C2)C(=O)N3CCOC(C3)C4=CC=CC(=N4)C5=CC(=CC=C5)C(=O)N

DOS

IR

Vibrations